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2612-02-4

2612-02-4 Structure

2612-02-4 Structure
IdentificationMore
[Name]

5-Methoxysalicylic acid
[CAS]

2612-02-4
[Synonyms]

2-HYDROXY-5-METHOXYBENZOIC ACID
5-METHOXYSALICYLIC ACID
5-O-METHYL GENTISIC ACID
6-HYDROXY-3-ANISIC ACID
LABOTEST-BB LT00847979
RARECHEM AL BO 0993
acid5-methoxysalicylic
2-Hydroxy-5-Methoxybenzoic
Benzoic acid, 2-hydroxy-5-methoxy-
2-hydroxy-m-anisic acid
2-HYDROXY-5-METHOXYBENZOIC ACID 99+%
[EINECS(EC#)]

220-037-8
[Molecular Formula]

C8H8O4
[MDL Number]

MFCD00002459
[Molecular Weight]

168.15
[MOL File]

2612-02-4.mol
Chemical PropertiesBack Directory
[Appearance]

beige fine crystalline powder
[Melting point ]

141-143 °C(lit.)
[Boiling point ]

217.07°C (rough estimate)
[density ]

1.1816 (rough estimate)
[refractive index ]

1.4611 (estimate)
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

DMSO (Slightly), Methanol (Slightly)
[form ]

Fine Crystalline Powder
[pka]

3.01±0.10(Predicted)
[color ]

Beige
[Water Solubility ]

1.7 g/L (10 ºC)
[BRN ]

2209647
[InChIKey]

IZZIWIAOVZOBLF-UHFFFAOYSA-N
[LogP]

2.100 (est)
[CAS DataBase Reference]

2612-02-4(CAS DataBase Reference)
[EPA Substance Registry System]

2612-02-4(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xi,Xn
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[WGK Germany ]

3
[TSCA ]

Yes
[HS Code ]

29189900
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Sodium hydroxide-->Hydrochloric acid-->Sodium bicarbonate-->Carbon tetrachloride-->Copper-->Activated carbon-->4-Methoxyphenol
[Preparation Products]

GENTISIN-->5-Methoxysalicylamide
Hazard InformationBack Directory
[Description]

5-Methoxysalicylic acid is a chemical compound belongs to the class of organic compounds known as m-methoxybenzoic acids and derivatives. It is a component of castoreum, the exudate from the castor sacs of the mature beaver.
A mixture of 5-methoxysalicylic acid and spermine can be used as a matrix for oligonucleotides analysis in MALDI mass spectrometry.
It is an isomer of vanillic acid.
2-Hydroxy-5-methoxybenzoic acid is matrix additive which enhances the electrical conductivity of the matrix crystal during matrix-assisted laser desorption/ionization mass spectrometry (MALDI-MS).
[Chemical Properties]

beige fine crystalline powder
[Uses]

2-Hydroxy-5-methoxybenzoic acid was used to evaluate MALDI matrix/solvent combinations for intact spore mass spectrometry of Fusarium species.
[Uses]

5-Methoxysalicylic acid was used to evaluate MALDI matrix/solvent combinations for intact spore mass spectrometry of Fusarium species.
[Definition]

ChEBI:5-methoxysalicylic acid is a methoxysalicylic acid that is salicylic acid which is carrying a methoxy group at position 5. It has a role as a bacterial metabolite and a human urinary metabolite.
[Synthesis Reference(s)]

Journal of the American Chemical Society, 72, p. 2301, 1950 DOI: 10.1021/ja01161a530
[General Description]

2-Hydroxy-5-methoxybenzoic acid is matrix additive which enhances the electrical conductivity of the matrix crystal during matrix-assisted laser desorption/ionization mass spectrometry (MALDI-MS).
Spectrum DetailBack Directory
[Spectrum Detail]

5-Methoxysalicylic acid(2612-02-4)MS
5-Methoxysalicylic acid(2612-02-4)1HNMR
5-Methoxysalicylic acid(2612-02-4)13CNMR
5-Methoxysalicylic acid(2612-02-4)IR1
5-Methoxysalicylic acid(2612-02-4)IR2
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

5-Methoxysalicylic acid, 98%(2612-02-4)
[Alfa Aesar]

2-Hydroxy-5-methoxybenzoic acid, 99%(2612-02-4)
[Sigma Aldrich]

2612-02-4(sigmaaldrich)
[TCI AMERICA]

5-Methoxysalicylic Acid,>98.0%(T)(2612-02-4)
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